35691-93-1 | Ethyl 3,5-dimethyl-1h-4-pyrazolecarboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$16.00	$11.00
1g	95%	in stock	$35.00	$24.00
5g	95%	in stock	$125.00	$87.00
10g	95%	in stock	$238.00	$166.00
25g	95%	in stock	$566.00	$396.00
100g	95%	in stock	$1,536.00	$1,075.00

Description

• Catalog Number: AB73709
• Chemical Name: Ethyl 3,5-dimethyl-1h-4-pyrazolecarboxylate
• CAS Number: 35691-93-1
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19308
• MDL Number: MFCD00159638
• SMILES: CCOC(=O)c1c(C)n[nH]c1C

Computed Properties

• Complexity: 172
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.2

Literature

• A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design.

  Nature biotechnology 20050201